ethyl 4H-imidazo<5,1-c><1,4>benzoxazin-3-carboxylate | 110035-85-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: ethyl 4H-imidazo<5,1-c><1,4>benzoxazin-3-carboxylate
• 英文别名: ethyl 4H-imidazo(5,1-c)(1,4)benzoxazine-3-carboxylate；ethyl 4H-imidazo[5,1-c][1,4]benzoxazin-3-carboxylate；ethyl 4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxylate
• CAS: 110035-85-3
• 化学式: C₁₃H₁₂N₂O₃
• 分子量: 244.25
• InChiKey: SSSFDFPKMXSNSV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  53.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2H-1,4-苯并噁嗪-3(4H)-酮 、 氰乙酸乙酯 以56%的产率得到
  参考文献：
  名称：

  BARTSCH, HERBERT;ERKER, THOMAS;NEUBAUER, GUSTAV, J. HETEROCYCL. CHEM., 26,(1989) N, C. 205-207

  摘要：

  DOI：

文献信息

• COMPOUND HAVING TAFIA INHIBITORY ACTIVITY
  申请人：Amada Hideaki

  公开号：US20110213143A1

  公开（公告）日：2011-09-01

  Provided are compounds having superior TAFIa inhibitory activity. Specifically, there are provided compounds represented by the following formula (I) or pharmaceutically acceptable salts thereof: wherein A is a benzene ring or a pyridine ring; X is the formula —(CH 2 )—, the formula —(CH 2 ) 2 —, an oxygen atom, a nitrogen atom or a single bond; Y is the formula —(CH 2 ) 3 —NH—R 3 , the formula —(CH 2 ) 4 —NH—R 3 or a 2-aminopyridyl group; R 3 is a hydrogen atom, a C 1-6 alkyl group, or the formula —CO 2 R 4 ; R 4 is a C 1-6 alkyl group, the formula —CHR 5 OC(O)R 6 , or a substituent having the structure represented by the following formula Ia; R 5 is a C 1-6 alkyl group; R 6 is a C 1-6 alkyl group, a C 3-8 cycloalkyl group, or a phenyl group; R 7 is a C 1-6 alkyl group or a phenyl group; R 1 is a hydrogen atom, a halogen atom, a C 1-4 alkyl group substituted by 1-3 halogen atoms, a C 1-10 alkyl group, a C 1-8 alkoxy group, a C 3-8 cycloalkyl group, a C 3-8 cycloalkoxy group, a C 4-14 cycloalkylalkyl group, or a phenyl group; R 2 is CO 2 R 8 , or a tetrazolyl group; R 8 is a hydrogen atom, a C 1-10 alkyl group, or a substituent having the structure represented by the following formula Ib or Ic; m and n are each an integer of zero or one.

  提供了具有优异的TAFIa抑制活性的化合物。具体而言，提供了以下公式（I）或其药学上可接受的盐所代表的化合物：其中A是苯环或吡啶环；X是公式—（CH2）—，公式—（ ）2—，氧原子，氮原子或单键；Y是公式—（ ）3—NH—R3，公式—（ ）4—NH—R3或2-氨基吡啶基；R3是氢原子，C1-6烷基或公式—CO2R4；R4是C1-6烷基，公式—CHR5OC（O）R6或具有以下公式Ia所代表的结构的取代基；R5是C1-6烷基；R6是C1-6烷基，C3-8环烷基或苯基；R7是C1-6烷基或苯基；R1是氢原子，卤素原子，被1-3个卤素原子取代的C1-4烷基，C1-10烷基，C1-8烷氧基，C3-8环烷基，C3-8环烷氧基，C4-14环烷基烷基或苯基；R2是CO2R8或四唑基；R8是氢原子，C1-10烷基或具有以下公式Ib或Ic所代表的结构的取代基；m和n各自为零或一的整数。
• Heterocyclic compounds and their preparation and use
  申请人：A/S FERROSAN

  公开号：EP0220845A1

  公开（公告）日：1987-05-06

  New heterocyclic derivatives having the general formula: wherein R′ is C1-6-alkyl, C3-7-cycloalkyl or C1-3-alkoxy­methyl, and - A - is -(CH₂)n-Y-(CH₂)m-, wherein n and m is O or 1 and -Y- is -O-, -S-, -CH₂-, or -NR"-, wherein R" is hydrogen or C1-6-alkyl. The compounds are useful in psychopharmaceutical preparations as anticonvulsants, anxiolytics, hypnotics, and nootropics and in human and animal health as anthelmintics, ecto- and endoparasiticides, insecticides and acaricides.

  具有通式的新杂环衍生物： 其中 R′是 C1-6-烷基、C3-7-环烷基或 C1-3-烷氧基甲基，和 - A - 是-(CH₂)n-Y-(CH₂)m-、 其中 n 和 m 是 O 或 1，-Y- 是-O-、-S-、-CH₂- 或-NR"-，其中 R" 是氢或 C1-6 烷基。 这些化合物可作为抗惊厥药、抗焦虑药、催眠药和促智药用于精神药物制剂，也可作为驱虫药、杀寄生虫药、杀虫剂和杀螨剂用于人类和动物健康。
• Bartsch, Herbert; Erker, Thomas; Neubauer, Gustav, Journal of Heterocyclic Chemistry, 1989, vol. 26, p. 205 - 207
  作者：Bartsch, Herbert、Erker, Thomas、Neubauer, Gustav

  DOI：——

  日期：——
• 4-OXO- AND 4H-IMIDAZO(5,1-C)(1,4)BENZOXAZINES USEFUL AS BENZODIAZEPINE RECEPTOR-BINDING AGENTS
  申请人：THE UPJOHN COMPANY

  公开号：EP0625982A1

  公开（公告）日：1994-11-30
• US4870073A
  申请人：——

  公开号：US4870073A

  公开（公告）日：1989-09-26